Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34441

Title: NMR structure of KRAS32R G25T conformer G-quadruplex within KRAS promoter region

Deposition date: 2019-10-08 Original release date: 2020-01-31

Authors: Marquevielle, J.; Salgado, G.

Citation: Marquevielle, J.; Robert, C.; Lagrabette, O.; Wahid, M.; Bourdoncle, A.; Xodo, L.; Mergny, J.; Salgado, G.. "Structure of Multiple G-quadruplexes in equilibrium in KRAS promoter region"  . ., .-..

Assembly members:
entity_1, polymer, 32 residues, 10246.573 Da.
entity_K, non-polymer, 39.098 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts34
15N chemical shifts12
1H chemical shifts258

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
2entity_2, 12
3entity_2, 22


Entity 1, entity_1 32 residues - 10246.573 Da.

4   DGDG

Entity 2, entity_2, 1 - K - 39.098 Da.

1   K


sample_1: KRAS32R G25T no labelled 2 mM; KCl 50 mM; KPi 10 mM

sample_2: KRAS32R G25T, [U-99% 13C; U-99% 15N], 0.5 mM; KCl 50 mM; KPi 10 mM

sample_conditions_1: ionic strength: 60 mM; pH: 6.66; pressure: 1 atm; temperature: 310 K


NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_2anisotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2anisotropicsample_conditions_1


Amber v12, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

Sparky, Goddard - chemical shift assignment

TopSpin, Bruker Biospin - processing

CcpNmr Analysis, CCPN - peak picking

NMR spectrometers:

  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE III 850 MHz